orbital_charges     :real:2:4,11
  0.116820331432093E+001  0.996051795371530E+000  0.105187578564062E+001
  0.101150271653374E+001  0.114750351620039E+001  0.102224507942747E+001
  0.783981888682487E+000  0.102757733823755E+001  0.133532326384235E+001
  0.121716190717748E+001  0.119005574411196E+001  0.121844104495205E+001
  0.758550211491273E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.757367615134439E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.756403700811762E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.910974341918249E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.915136689811703E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.903127432121077E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.915123567293940E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.913393046919028E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,11
 -0.187644866838314E-002  0.220296506330233E-002  0.620522797978266E-002
  0.993269186958134E-003  0.190357288438492E-002 -0.127741865256152E-001
  0.115563503307919E-002 -0.433993791762619E-003 -0.289939123224177E-002
 -0.482245793024708E-002 -0.608659212073417E-003 -0.396211313870916E-003
  0.140378404362392E-002  0.388039926761657E-002  0.284307103875722E-002
  0.170435924673208E-002 -0.317765361727659E-002  0.414554026976386E-002
  0.944428233067174E-003 -0.438501603337834E-003 -0.417093343772920E-003
 -0.680668161399584E-003 -0.105928053912635E-002  0.462965250031755E-002
  0.180815699148714E-002  0.719317108070270E-003 -0.245490103761006E-002
 -0.138884779167397E-002  0.741454482410236E-003  0.109062953924054E-002
  0.758789816756124E-003 -0.372962004220746E-002  0.276621252490797E-004
mermin_energy       :real:0:
 -0.104026579330249E+002
end_coords          :real:2:3,11
  0.203667108145082E+001  0.205394317698643E+001  0.371045808131483E+001
  0.261519179559437E+000 -0.512115742904888E-001  0.285184218114411E+001
  0.105956936179620E+000 -0.675577040916965E-001 -0.116596093495320E-001
  0.191708922089355E+001 -0.683891835266712E-001 -0.729717690489751E+000
 -0.806761819044114E+000 -0.164929615105203E+001 -0.690127931029023E+000
 -0.800431236982375E+000  0.150063140753052E+001 -0.730605861704383E+000
 -0.165402046602347E+001  0.171379249904223E+000  0.361128526143421E+001
  0.100021306849494E+001 -0.191096650869055E+001  0.336781296506570E+001
  0.214457443539868E+001  0.204475910868194E+001  0.578036944290475E+001
  0.394068339850340E+001  0.176676151850209E+001  0.294196321353944E+001
  0.135421543793543E+001  0.392785215904095E+001  0.312288557968599E+001
